SCHEMBL7845798

SCHEMBL7845798

COc1ncc(C)c(OC)c1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGXT P21549 1/20 0.52
PDE10A Q9Y233 3/20 0.35
HSP90AA1 P07900 6/20 0.34
HSP90AB1 P08238 4/20 0.34
KMT2A Q03164 4/20 0.34
WDR5 P61964 3/20 0.34
TRAP1 Q12931 2/20 0.34
ATP4A P20648 2/20 0.34
ATP4B P51164 2/20 0.34
SHMT2 P34897 1/20 0.34
HSP90B1 P14625 1/20 0.34
BRS3 P32247 2/20 0.33
DDAH1 O94760 2/20 0.33
ENGASE Q8NFI3 2/20 0.33
SARM1 Q6SZW1 1/20 0.33
IDO2 Q6ZQW0 1/20 0.33
HTT P42858 2/20 0.33
RECQL P46063 1/20 0.33
CCR1 P32246 1/20 0.32
CCR5 P51681 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10396242 0.84 AGXT (0.44) AGXTPDE10AHTTRECQLALDH1A1
SCHEMBL14853183 0.81 CCR1 (0.39) AGXTHTTRECQLCCR1CCR5
SCHEMBL27973179 0.80 LMNA (0.34) AGXTKMT2AHTTRECQLKDM4E
SCHEMBL29662228 0.79 AGXT (0.42) AGXTPDE10AHSP90AA1HSP90AB1KMT2A
SCHEMBL94923 0.79 AGXT (0.53) AGXTPDE10AHSP90AA1HSP90AB1KMT2A
SCHEMBL27916480 0.78 AGXT (0.41) AGXTHSP90AA1HSP90AB1KMT2ATRAP1
SCHEMBL28590215 0.78 AGXT (0.41) AGXTHSP90AA1HSP90AB1KMT2AWDR5
SCHEMBL29039529 0.77 AGXT (0.52) AGXTPDE10AHSP90AA1HSP90AB1KMT2A
SCHEMBL29736023 0.77 AGXT (0.52) AGXTPDE10AHSP90AA1HSP90AB1KMT2A
Hydrochloric Acid SCHEMBL28303939 0.77 AGXT (0.52) AGXTPDE10AHSP90AA1HSP90AB1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0868423-B1 METHOD FOR THE SYNTHESIS OF A BENZIMIDAZOLE COMPOUND ASTRAZENECA AB (SE) 2001-09-05 EP claimed